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Tibenzonium

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Identification
Molecular formula
C16H18N2OS
CAS number
61943-77-1
IUPAC name
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone
State
State

Tibenzonium is a solid at room temperature. It is stable under normal conditions and is typically handled as a dry powder or crystalline solid.

Melting point (Celsius)
142.00
Melting point (Kelvin)
415.15
Boiling point (Celsius)
335.20
Boiling point (Kelvin)
608.35
General information
Molecular weight
282.40g/mol
Molar mass
282.3960g/mol
Density
1.2340g/cm3
Appearence

Tibenzonium typically appears as a crystalline solid, often white or off-white in color. Its appearance depends on its specific form and any impurities that may be present.

Comment on solubility

Solubility of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone

The solubility of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone (C16H18N2OS) can be influenced by several key factors:

  • Polarity: The presence of nitrogen and sulfur atoms in the molecular structure can affect its polarity, potentially leading to solubility in polar solvents such as water or alcohol.
  • Hydrogen Bonding: The molecule's ability to form hydrogen bonds might enhance its solubility in polar solvents, especially if these functional groups align to engage in favorable interactions.
  • Hydrophobic Interactions: Due to the p-tolyl group, which is hydrophobic, this compound may exhibit lower solubility in nonpolar solvents, making it less soluble in organic solvents like hexane or toluene.
  • Solvent Compatibility: It is worth experimenting with a variety of solvents, such as dimethyl sulfoxide (DMSO) or acetone, which may provide better solubility profiles due to their unique properties.

Understanding the solubility of this complex compound is crucial for its applications in fields such as drug development and chemical synthesis. As solubility can significantly impact bioavailability and reactivity, engaging in systematic testing across various solvent systems may provide further insights into the practical use of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone.

In summary, experimenting with different solvents and understanding the underlying chemical interactions is essential for assessing the solubility of this compound effectively.

Interesting facts

Interesting Facts about 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone

This compound is not only a fascinating entity in the realm of organic chemistry but also has intriguing applications in various scientific fields. Here are some of the most noteworthy aspects:

  • Complex Structure: The compound features a benzothiazole framework, which is known for its numerous pharmacological activities. Its structure allows for extensive chemical modifications that can lead to various derivative compounds with potentially enhanced biological activities.
  • Biological Relevance: Benzothiazole derivatives are often explored for their therapeutic potentials, particularly in pharmaceuticals. This compound may exhibit properties such as anti-inflammatory, antimicrobial, or even anticancer effects, making it a subject of intense study.
  • Intermolecular Interactions: With both a carbonyl group and nitrogen in its structure, the compound is likely to engage in significant hydrogen bonding and π-π interactions, which can affect its behavior in different chemical environments.
  • Potential Applications: From organic synthesis to biochemical assays, this compound may serve as a versatile building block. It can be used in the development of sensors, drug delivery systems, or as a probe in molecular biology.
  • Exciting Research Avenues: Ongoing research into derivatives and functionalization of this compound opens many doors. Chemists can explore how alterations in the molecular structure may influence the biological activity, leading to the discovery of novel medications.

In summary, 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(p-tolyl)ethanone exemplifies the complexity and utility of modern organic compounds. Its potential contributions to science are as varied as they are promising!

Synonyms
pifithrin
206983-57-5
2-(2-Imino-4,5,6,7-tetrahydrobenzo[d]thiazol-3(2H)-yl)-1-(p-tolyl)ethanone
CHEMBL198759
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone
1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)- benzothiazolyl)ethanone hydrobromide
Tocris-1267
1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2h)-benzothiazolyl)ethanone
BSPBio_001026
CBDivE_001116
KBioGR_000366
KBioSS_000366
SCHEMBL158627
BCBcMAP01_000143
CHEBI:93168
KBio2_000366
KBio2_002934
KBio2_005502
KBio3_000711
KBio3_000712
Bio1_000477
Bio1_000966
Bio1_001455
Bio2_000353
Bio2_000833
HMS1362D07
HMS1792D07
HMS1990D07
HMS3403D07
BDBM50478353
GR-325
IDI1_002108
NCGC00025090-01
NCGC00025090-02
NCGC00025090-03
NCGC00025090-04
AG-690/33040008
BRD-K66874953-001-02-7
BRD-K66874953-004-01-3
BRD-K66874953-004-04-7
BRD-K66874953-004-07-0
BRD-K66874953-004-08-8
BRD-K66874953-004-09-6
Q27164890
2-(2-Imino-4,5,6,7-tetrahydro-benzothiazol-3-yl)-1-p-tolyl-ethanone
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone
Ethanone, 1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-iMino-3(2H)-benzothiazolyl)-